Molecule

ID:54879

General Information
Structure
Molecular Formula
C₁₀H₁₂N₄O
Molecular Mass
204.22848
Exact Mass
204.10111102
Charge
0
InChI
InChI=1S/C10H12N4O/c1-2-11-9-8(1)10(13-7-12-9)14-3-5-15-6-4-14/h1-2,7H,3-6H2,(H,11,12,13)
InChIKey
GIAZHSRKWYDANE-UHFFFAOYSA-N
Canonic Smiles
O1CCN(CC1)c1ncnc2c1cc[nH]2
Isomeric Smiles
c12c(N3CCOCC3)ncnc1[nH]cc2
Calculated Properties
JChem
Acid pKa
13.560455
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.48213223
LogD (pH = 7.4)
0.8146905
Log P
0.9999604
Molar Refractivity
57.578
Polarizability
21.553686
Polar Surface Area
54.04
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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